5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine

C25H28N6 — CID 95814034

IUPAC5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(Cc3cn(C)c4ccccc34)C2)n1
InChIInChI=1S/C25H28N6/c1-17-10-19(20-12-27-25(26)28-13-20)11-23(29-17)18-6-5-9-31(15-18)16-21-14-30(2)24-8-4-3-7-22(21)24/h3-4,7-8,10-14,18H,5-6,9,15-16H2,1-2H3,(H2,26,27,28)/t18-/m0/s1
InChIKeyGIJDPOOHJHUNMM-SFHVURJKSA-N
MW412.54 g/mol
LogP4.30
Rot. Bonds4

About 5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine

5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine (PubChem CID 95814034) has the molecular formula C25H28N6 and a molecular weight of 412.54 g/mol. Its IUPAC name is 5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
PubChem CID95814034
Molecular FormulaC25H28N6
Molecular Weight412.54 g/mol
Exact Mass412.24
IUPAC Name5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(Cc3cn(C)c4ccccc34)C2)n1
InChIInChI=1S/C25H28N6/c1-17-10-19(20-12-27-25(26)28-13-20)11-23(29-17)18-6-5-9-31(15-18)16-21-14-30(2)24-8-4-3-7-22(21)24/h3-4,7-8,10-14,18H,5-6,9,15-16H2,1-2H3,(H2,26,27,28)/t18-/m0/s1
InChIKeyGIJDPOOHJHUNMM-SFHVURJKSA-N
XLogP4.30
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252516
5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95813876
5-methyl-7-[1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118472527
5-[2-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252522
5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252509
2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole
CID 95813947
[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone
CID 95813924
1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110264820
1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 55030033
1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 92618153
1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole
CID 162743380
2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 95814038

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine (CID 95814034) is 5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine is Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(Cc3cn(C)c4ccccc34)C2)n1.
What is the InChIKey of 5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine?
The InChIKey is GIJDPOOHJHUNMM-SFHVURJKSA-N. The full InChI is InChI=1S/C25H28N6/c1-17-10-19(20-12-27-25(26)28-13-20)11-23(29-17)18-6-5-9-31(15-18)16-21-14-30(2)24-8-4-3-7-22(21)24/h3-4,7-8,10-14,18H,5-6,9,15-16H2,1-2H3,(H2,26,27,28)/t18-/m0/s1.
What are the key properties of 5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine?
5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine has a molecular weight of 412.54 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 95814034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).